Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_B_6(1L2T) / Model_21(1L2T/B) = [6.6] Download1116.1623.32MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKASKDTLLELGLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK
Complex: ADP_A_3(1F3O) / Model_2(1F3O/A) = [5.9] Download1102.0719.70MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKASKDTLLELGLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK
Complex: ANP_J_5(3C41) / Model_42(3C41/J) = [5.8] Download1119.105.29MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKASKDTLLELGLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK
Complex: AT4_D_8(2OLK) / Model_37(2OLK/D) = [5.4] Download757.2415.82MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKASKDTLLELGLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK
Consensus
[pKd Mean = 5.93]		-1023
(s=153)		16
(s=6)		MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKASKDTLLELGLDESQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
TYR11CE11548[C], 7[N],
TYR11CZ25410[N], 12[C], 3[O],
TYR11CE23642[P], 10[N], 7[O], 17[C],
TYR11CD23642[P], 10[N], 17[C], 7[O],
TYR11CD1442[C], 2[N],
TYR11CG1544[N], 3[O], 8[C],
TYR13CE14542[P], 10[N], 20[C], 13[O],
TYR13CZ4242[P], 10[N], 10[O], 20[C],
TYR13CD14241[P], 10[N], 20[C], 11[O],
TYR13CG35410[N], 6[O], 19[C],
TYR13CE23241[P], 10[N], 16[C], 5[O],
TYR13CD230410[N], 4[O], 16[C],
LYS14NZ844[C], 4[N],
LYS14CG1045[C], 2[O], 3[N],
LYS14CE1741[O], 8[N], 8[C],
LYS14CD442[N], 2[C],
ASN15ND21645[N], 9[C], 2[O],
ASN15OD11441[O], 6[N], 7[C],
ASN15CG1245[N], 6[C], 1[O],
THR16OG13848[O], 10[N], 20[C],
THR16CG23848[O], 10[N], 20[C],
VAL20CG27042[P], 15[N], 20[O], 33[C],
VAL20CG181415[N], 37[C], 25[O], 4[P],
LEU21CD22644[P], 7[C], 15[O],
LEU21CG22411[O], 7[C], 4[P],
LEU21CD1545[O],
TYR22CE1341[C], 2[O],
ILE36CG2646[O],
GLU39CG141[O],
SER40OG4448[P], 1[N], 6[C], 28[O], 1[S],
LYS44NZ48410[P], 1[N], 32[O], 4[C], 1[S],
LYS44CD37425[O], 1[N], 10[P], 1[S],
LYS44CG47410[P], 1[N], 32[O], 3[C], 1[S],
LYS44CE43410[P], 1[N], 1[C], 30[O], 1[S],
SER45OG5241[S], 7[C], 2[N], 32[O], 10[P],
THR46CG268421[O], 12[N], 30[C], 5[P],
THR46OG1105439[C], 19[N], 38[O], 8[P], 1[S],
LEU48CD1141[O],
LEU48CG242[O],
SER49OG2144[P], 5[N], 8[O], 4[C],
ASP55OD11247[C], 5[N],
ASP55CG1346[N], 7[C],
ASP55OD228413[C], 3[O], 12[N],
GLN87CD1241[S], 9[O], 2[P],
GLN87OE11449[O], 4[P], 1[S],
GLN87CG443[O], 1[P],
GLN87NE21341[S], 9[O], 3[P],
ASP154OD23541[S], 23[O], 1[N], 10[P],
ASP154OD12941[S], 7[P], 1[N], 20[O],
ASP154CG2146[P], 1[N], 14[O],
GLU155CG1441[S], 4[P], 9[O],
GLU155OE117412[O], 1[N], 3[P], 1[S],
GLU155CD19412[O], 1[N], 5[P], 1[S],
GLU155OE22345[P], 1[N], 16[O], 1[S],
VAL186CG12541[S], 6[P], 1[N], 17[O],
VAL186CG21444[P], 10[O],
HIS188CE11249[O], 2[P], 1[S],
HIS188NE21641[S], 11[O], 4[P],
HIS188CG745[O], 2[P],
HIS188ND11048[O], 2[P],
HIS188CD21141[S], 3[P], 7[O],
LEU202CD1742[P], 5[O],
LEU202CD21047[O], 1[C], 2[P],
LEU202CG543[O], 2[P],
ASP204OD1242[O],
ASP204CG141[O],
Total = 66



Download csv file of statistical distribution of contacts